5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane

C7H11N3S — CID 156893796

IUPAC5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane
SMILESCCC.Cc1nc(C#N)ns1
InChIInChI=1S/C4H3N3S.C3H8/c1-3-6-4(2-5)7-8-3;1-3-2/h1H3;3H2,1-2H3
InChIKeyTUNBYYXMJZTAQU-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.13
Rot. Bonds

About 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane

5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane (PubChem CID 156893796) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane.

Molecular Properties

Compound Name5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane
PubChem CID156893796
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane
SMILESCCC.Cc1nc(C#N)ns1
InChIInChI=1S/C4H3N3S.C3H8/c1-3-6-4(2-5)7-8-3;1-3-2/h1H3;3H2,1-2H3
InChIKeyTUNBYYXMJZTAQU-UHFFFAOYSA-N
XLogP2.13
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane?
The IUPAC name of 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane (CID 156893796) is 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane.
What is the SMILES notation for 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane?
The canonical SMILES for 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane is CCC.Cc1nc(C#N)ns1.
What is the InChIKey of 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane?
The InChIKey is TUNBYYXMJZTAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3S.C3H8/c1-3-6-4(2-5)7-8-3;1-3-2/h1H3;3H2,1-2H3.
What are the key properties of 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane?
5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane has a molecular weight of 169.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,4-thiadiazole-3-carbonitrile;propane is sourced from PubChem (CID 156893796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).